3OTU
PDK1 mutant bound to allosteric disulfide fragment activator JS30
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11589 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.296, 69.029, 46.928 |
Unit cell angles | 90.00, 104.71, 90.00 |
Refinement procedure
Resolution | 45.390 - 2.101 |
R-factor | 0.1967 |
Rwork | 0.194 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h1w |
RMSD bond length | 0.013 |
RMSD bond angle | 1.694 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | PHENIX ((phenix.refine: 2010_01_09_2330)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.108 | 0.668 |
Number of reflections | 15681 | |
<I/σ(I)> | 16.16 | 2.806 |
Completeness [%] | 98.2 | 97.4 |
Redundancy | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 1.7M ammonium sulfate, 0.2M NDSB-211, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |